E867-0834 Screening compound: 6,8-dimethyl-N-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

E867-0834 Screening compound: 6,8-dimethyl-N-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide
E867-0834 Screening compound: 6,8-dimethyl-N-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E867-0834
6,8-dimethyl-N-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E867-0834

Molecular Formula

C22H26N4O3S (C22 H26 N4 O3 S)

Compound Name

6,8-dimethyl-N-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-1H,2H,3H-pyrido[2,3-b][1,4]thiazine-1-carboxamide

IUPAC name

68-dimethyl-N-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-1H2H3H-pyrido[23-b][14]thiazine-1-carboxamide

SMILES

Cc(cc(C)nc1SCC2)c1N2C(Nc(cc1)ccc1C(NCC1OCCC1)=O)=O

InChI

InChI=1S/C22H26N4O3S/c1-14-12-15(2)24-21-19(14)26(9-11-30-21)22(28)25-17-7-5-16(6-8-17)20(27)23-13-18-4-3-10-29-18/h5-8,12,18H,3-4,9-11,13H2,1-2H3,(H,23,27)(H,25,28)/t18-/m1/s1

InChI Key

VENSSTAJZLZDEW-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14924781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.699

Distribution Coefficient, logD

2.699

Water Solubility, LogSw

-3.13

Polar Surface Area

69.024

Acid Dissociation Constant (pKa)

11.29

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

E867-0834 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E867-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E867-0834?
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What is the minimum amount of E867-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E867-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E867-0834
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E867-0834 available by request